Personal Websites
Mathematical Modeling and Data-driven Simulatuion Team: sktmodeling.ru
My research page: http://sktmodeling.ru/vishnyakov
Alexey Vishnyakov
Associate Professor
Center for Computational and Data-Intensive Science and Engineering
Center for Computational and Data-Intensive Science and Engineering
- Having obtained PhD degree in Chemistry from St. Petersburg State University (SPbGU) in 1998, Aleksey joined TRI/Princeton, a small research non-profit institute, as a staff scientist. His research focuses on the development of new molecular modeling techniques and their application to interfacial phenomena and to small systems in particular. In 2006-2017, he worked as an Assistant and Associate Research Professor at Rutgers University. Despite working as a research faculty, Aleksey was a full graduate faculty member and actively participated in developing new graduate curriculum and teaching at both graduate and undergraduate levels
Research areas:
- Advancing of mathematical modeling methodology & simulation techniques
- Physics-informed machine learning
- Porous structures & interfaces: characterization, thermodynamics and transport
- Structure-property relationships in soft matter
- Statistical mechanics, especially in application to complex media and molecules
Key publications:
- Vishnyakov A, Lee MT, Neimark AV. Prediction of the Critical Micelle Concentration of Nonionic Surfactants by Dissipative Particle Dynamics Simulations. J. Phys. Chem. Lett. 2013; 4(5):797-802.
- Vishnyakov A, Neimark AV. Multicomponent gauge cell method. J. Chem. Phys. 2009;130(22).
- Neimark AV, Ravikovitch PI, Vishnyakov A. Bridging scales from molecular simulations to classical thermodynamics: density functional theory of capillary condensation in nanopores. J. Phys. Condensed Matter. 2003; 15(3):347-65
- Vishnyakov A, Widmalm G, Kowalewski J, Laaksonen A. Molecular dynamics simulation of the alpha-D-Manp-(1 -> 3)-beta-D-Glcp-OMe disaccharide in water and water DMSO solution. J. Am. Chem. Soc. 1999; 121(23): 5403-12
- Ravikovitch PI, Vishnyakov A, Russo R, Neimark AV. Unified approach to pore size characterization of microporous carbonaceous materials from N-2, Ar, and CO2 adsorption isotherms. Langmuir. 2000;16(5):2311
Currently:
- Thermodynamics & transport at nanoscale (3cr, term 4)
- Individual study projects on physics-informed machine learning
Coming in the following academic years:
- Statistical mechanics beyond physics (3cr)
- Soft matter: practical aspects (3cr)